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Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
8 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
3 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
6 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
5 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
8 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
8 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
7 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
13 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
13 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
8 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Upstream Precursor
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 1
Depiction
Product
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depiction
Upstream Precursor
CC[N+](CC1=CC(=CC=C1)S(=O)(=O)O)(C2=CC=C(C=C2)C(=C3C=CC(=O)C=…
Depth 2
Depiction
Product
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 2
Depiction
Downstream Successor
Acetic Acid
CC(=O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 1
Depiction
Downstream Successor
Acetaldehyde
C(C)=O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 3
Depiction
Downstream Successor
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 2
Depiction
Downstream Successor
Ethylamine
NCC
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 1
Depiction
Downstream Successor
3-Formylbenzenesulfonic acid
C(c1cc(ccc1)S(=O)(=O)O)=O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 3
Depiction
Downstream Successor
Benzenesulfonic Acid
C1=CC=CC(=C1)S(=O)(=O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 3
Depiction
Downstream Successor
3,4-Dihydroxybenzyl Alcohol
OCc1cc(c(cc1)O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 2
Depiction
Downstream Successor
Chloroacetaldehyde
O=CCCl
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 3
Depiction
Downstream Successor
3,4-Dihydroxybenzenesulfonate
c1cc(c(cc1S(=O)(=O)[O-])O)O
Depiction
Precursor
Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-oxo-2-sulfocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-[(3-sulfophenyl)methyl]azanium
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=O)C=C3S(…
Depth 1
Depiction
Downstream Successor
3-(Hydroxymethyl)benzenesulfonic acid
C(c1cc(ccc1)S(=O)(=O)O)O
No Original Precursors

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